Journal of Cluster Science最新文献

The fluorescence mechanisms of the fluorescent probes 2-(4-morpholinophenyl)-4-oxo-4 H-chromen-3-yl acrylate (LFA) for the detection of cysteine in lysosomes and 3-hydroxy-2-(4-morpholinophenyl)-4 H-chromen-4-one (LF) were investigated based on density functional theory (DFT) and time-dependent density functional theory (TDDFT). The enhancement of hydrogen bonding in the excited state of LF molecule was proved by the geometric parameters, interaction region indicator (IRI) equivalence surface and IR vibrational spectra. Due to the low barrier of the potential energy curve (PEC), the LF occurs the excited state intramolecular proton transfer (ESIPT). In addition, both LFA and LF have the characteristics of intramolecular charge transfer (ICT), as determined by the Frontier molecular orbitals (FMOs), hole electron maps and D-index analyses. Due to non-radiation transition, the LFA is quenching by the calculation of reorganization energy and transition dipole moment.

Nickel oxide (NiO) nanoparticles were prepared using the co-precipitation method, and then activated carbon (AC) powder was blended with NiO with percentages of 25, 50, and 75%. X-ray diffraction patterns confirmed the formation of both NiO and NiO/AC nanocomposite structures. The NiO and NiO/AC nanocomposite powders were also fully characterized by Brunauer–Emmett–Teller (BET), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM), which evidenced that the nanoparticles were uniformly distributed with the AC. The NiO and NiO/AC nanocomposite powders were investigated as supercapacitor electrode materials in a 6 M KOH aqueous solution. NiO nanoparticles electrode delivered a specific capacitance of 235 F g^− 1 at a current density of 1 A g^− 1. In comparison, it was found that the AC50 (NiO/AC 50/50%) nanocomposite possessed the best electrochemical performance. It achieved specific capacitances of 325 F g^− 1 and 215 F g^− 1 at current densities of 1 and 5 A g^− 1, respectively. For practical application, the AC50 nanocomposite coin cell was assembled in 1 M TEABF₄/PC organic electrolyte with good electrochemical performance. It delivered a specific capacitance of 72 F g^− 1 at 1 mA g^− 1. It demonstrates remarkable electrochemical reversibility with 99.3% coulombic efficiency and 89.9% capacitance retention after 4000 cycles at the current density of 5 mA g^− 1. It also reveals a high specific energy of 62.5 Wh kg^− 1 and a specific power of 638 W kg^− 1 at a current density of 0.5 A g^− 1. Still, it exhibits a specific energy of 8.7 Wh kg^− 1 and a specific power of 6944 W kg^− 1 at a current density of 5 A g^− 1, estimating this material’s potential for use in supercapacitors.

Metatitanic acid particles are the clusters formed through aggregation and agglomeration of nano-sized anatase crystallites in the hydrolysis process of titanyl sulphate. The uniformity of particle sizes and consistence of compositions of metatitanic acid particles precipitated from hydrolysis of titanyl sulphate solution are important for the morphology of TiO₂ particles and their optical properties. There have been numerous research efforts on the hydrolysis process, but there is little research on the detailed evaluation of the formation and growth of metatitanic acid particles at each important point in the hydrolysis process of titanyl sulphate. Herein, we report a study of the particle sizes and size distributions of metatitanic acid particles in the key points of the hydrolysis process, using the Light Scattering Particle Size Analyzer and Scanning Electron Microscopy. We found that at the point when initial particles appeared from solution, metatitanic acid exist predominately as primary particles and the primary particles continue to grow in size from gray point and are largely free of agglomeration. After secondary boiling, the primary particles disappear and the secondary particles become predominate. This investigation has implications on the optimal control of the uniformity of particle sizes and quality of metatitanic acid particles.

Hypertension is the foremost reason for death among patients with heart disease, stroke, and chronic kidney disease. Cilnidipine (CLN), a fourth–generation dihydropyridine calcium channel blocker, shows promising results for cardiovascular diseases, but its bioavailability (6–30%) negatively impacts its effectiveness. The synthesis of cilnidipine encapsulated Nanostructured Lipid Carriers was achieved through high–pressure homogenization and 3³ Box–Behnken Design was utilized for optimization. The physicochemical characterization evaluated the entrapment efficiency (%EE), size of the particle, its zeta potential, thermal behavior, crystallinity, and chemical interactions. The optimized formulation presented 190.21 ± 21.63 nm (mean particle size), 0.27 ± 0.12 (PDI), -29.25 ± 0.31 mV (Zeta), and 79.35% ± 3.13% (Entrapment efficiency). Analysis using DSC and XRD confirmed the transition of the drug’s crystalline form to an amorphous form within the nanostructured lipid carriers (NLCs), potentially improving its solubility and bioavailability. Fourier–transform infrared spectroscopy (FTIR) affirmed compatibility between Cilnidipine and formulation excipients. The studies of in–vitro release showed an initial surge in release, followed by a gradual slow drug release from NLCs, exhibiting a dual–release pattern. This study aims to develop, optimize, and evaluate CLN–NLCs to boost the oral bioavailability of CLN, thereby improving its therapeutic effectiveness and patient compliance.

The increasing global dependence on biofuels as an alternative to fossil fuels has spurred extensive research into optimizing their production processes. Nanotechnology has emerged as a game-changing tool for enhancing biofuel yield, purity, and efficiency, offering significant commercial potential. This review critically examines the applications of various nanomaterials—such as graphene, carbon nanotubes, metallic nanoparticles, nanocomposites, and nanoscale biochar—in enhancing the conversion of diverse feedstocks, including lignocellulosic biomass, microalgae, and organic waste, into biodiesel, bioethanol, biohydrogen, and biogas. The novel integration of metallic nanoparticles and carbon-based nanomaterials in enzymatic hydrolysis, transesterification, and fermentation has markedly improved biofuel yields and reduced production costs, creating opportunities for scalable and commercially viable biofuel production. Additionally, nanomaterials enhance biofuel quality by facilitating advanced purification techniques that optimize separation processes. Despite these promising advancements, environmental and toxicity concerns surrounding the use of nanoparticles remain significant challenges. This study identifies key research gaps, including scalability, lifecycle assessments, and establishing regulatory frameworks, which must be addressed for effective commercialization. Future research must optimize the synthesis of eco-friendly, cost-effective nanoparticles while minimizing environmental risks. The findings emphasize the need for an integrated, nanotechnology-driven approach to achieve sustainable, economically viable biofuel production on a commercial scale.

Zn_1 − xMg_xO/Mn₃O₄/MnO (x = 0, 0.01, 0.03) nanocomposite samples were produced using the solid-state reaction at low temperature. The phase analysis for the synchrotron x-ray diffraction data for all samples was performed using the search match software. We determined the phase percentages using the Rietveld method. The crystallite sizes for all phases were determined. FTIR and Raman spectra confirmed the presence of ZnO, MnO and Mn₃O₄ phases in the formed samples. The Rietveld analysis-determined crystallite size anisotropy is evident in the rod-like form using the scanning electron microscopy technique. The absorbance and reflectance spectra of all samples were determined using UV–Vis diffuse reflectance technique. The optical band gap value depended on the amount of Mg in the samples. All samples have three optical band gaps assigned to ZnO, Mn₃O₄ and MnO phases. In comparison to higher energy photons, Zn1-xMgxO/Mn₃O₄/MnO nanocomposite samples showed a greater absorption rate for minimal energy photons. The results obtained suggest that Mg-containing materials are less likely to interact with gamma rays than to pass through them. The greatest fast neutron removal cross section (FNRCS) value was shown by the nanocomposite containing 1% of Mg. Our Mg-containing nanocomposite samples exhibit remarkable neutron shielding properties.

Although self nanoemulsifying drug delivery system (SNEDDS) enhances atorvastatin calcium bioavailability, formulation leakage from capsules and drug degradation limits its pharmaceutical application. The traditional solidifying adsorption approach failed to overcome the instability issue and produced a powder with a high dosage. Combining in-situ liquefying (poloxamer 188) and pH-modifying agents (sodium bicarbonate) was invented to address these challenges while maintaining dissolution performance. Therefore, five formulations were prepared, namely: liquid SNEDDS (L-SNEDDS), solid SNEDDS (S-SNEDDS), carbonated SNEDDS (C-SNEDDS), in-situ liquefying SNEDDS (IL-SNEDDS), and in-situ liquefying carbonated SNEDDS (IL-C-SNEDDS). Oil and cosurfactant ingredients were selected based on the solubility of the drug and poloxamer 188, respectively, while surfactant was selected based on transmittance measurement. Moreover, the prepared formulations were characterized using a Zetasizer, pH meter, thermal behavior, SEM, FTIR, PXRD, and dissolution apparatus. Finally, the stability of prepared formulations was studied to assess the impact of formulation type on drug stability. Results showed that atorvastatin calcium exhibited the highest solubility in imwitor 308 (181.4 mg/g) among tested oils. The optimized SNEDDS formulation displayed a transmittance value of 98.62%, indicating excellent emulsification with a particle size of 10.5 nm. The optimized L-SNEDDS formulation comprises tween 80, propylene glycol, and imwitor 308 (2: 1: 1). The results showed that Syloid successfully adsorbed L-SNEDDS, which was present in an amorphous state. In vitro dissolution studies demonstrated that all SNEDDS formulations achieved > 90% drug dissolution. However, notable drug degradation was observed with liquid and solid SNEDDS (> 10%) compared to < 5% in IL-C-SNEDDS. The present study demonstrates that IL-C-SNEDDS effectively addresses dosage and stability challenges without increasing the total dosage.

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In this study Chitosan- Zinc oxide nanocomposite (CS-ZnO NCs) was green synthesised using Dolichandrone falcata aqueous leaf extract. The synthesized CS-ZnO NCs were characterized using UV (Ultraviolet-Visible Spectroscopy), XRD (X-ray Diffraction), FTIR (Fourier Transform Infrared Spectroscopy), SEM (Scanning Electron Microscopy) with EDAX (Energy-Dispersive X-ray) and DLS (Dynamic Light Scattering). The formation of CS-ZnO NCs was confirmed by the absorbance peak of 327 nm. XRD analysis revealed hexagonal structure of NCs with crystalline size of 25 nm. Synthesized NCs shows the functional groups such as alcohol, amine, alkene, sulfoxide, nitro and halo compounds. SEM analysis revealed the aggregated spherical in shape of NCs. The particle size of the synthesized NCs is 54 nm. Moreover, the nanocomposites (NCs) displayed strong antioxidant activity against DPPH (2, 2-diphenyl-1-picrylhydrazyl), H₂O₂ (Hydrogen peroxide) and Metal chelating activity assays at 250 µg/mL concentration. The antibacterial properties of the CS-ZnO NCs were assessed using disc diffusion method, revealing the highest zone of inhibition on Gram positive strains. The synthesized CS-ZnO NCs showed potent anti-inflammatory activity on albumin denaturation. Additionally, NCs exhibited significant anticancer properties against skin cancer cell line A431 with IC₅₀ value of 50.00 µg/mL. Based on our findings, biologically synthesized nanocomposites (NCs) demonstrate significant potential for various biomedical applications.

Cassava (Manihot esculenta) is an agricultural plant produced in a high amount. It’s processing for flour leads to excessive amounts of waste, such as inedible pulps, to be left over, which can be difficult to dispose of. Advantageously, cassava pulps are rich in carbon, being comprised of over 56% starch. In this study, cassava pulp was used to create nitrogen-doped carbon dots (N-CDs) through hydrothermal carbonization. These N-CDs were employed as sensors to detect formalin using a silver mirror reaction. When formaldehyde (FA) was added, it caused fluorescence quenching and a significant color change, with an absorbance peak at 406 nm, due to the formation of silver nanoparticles. Using UV-Vis absorption and fluorescence spectroscopy, N-CDs in the presence of Ag⁺ and Tollen’s reagent demonstrated remarkable sensitivity for FA with detection limits of 96.5 µg/L and 83.6 µg/L, respectively. Additionally, N-CDs showed good selectivity for FA compared to other analytes. It was shown that N-CDs derived from cassava pulp have the potential to be an effective and environmentally friendly FA detection method.

This study delineates the synthesis of bimetallic bismuth nickel oxide (BNO) nanoparticles employing a microwave combustion method that integrates a green synthesis approach using Trachyspermum ammi (Ajwain) seed extract. The nanoparticles were subjected to an exhaustive suite of analytical techniques to assess their morphological, structural, optical, and electronic characteristics. Techniques utilized included scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), UV-diffuse reflectance spectroscopy (DRS), Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS). Photocatalytic performance of the synthesized BNO nanoparticles was evaluated through the degradation of Malachite Green (MG), a prevalent synthetic dye and notable aquatic contaminant. The nanoparticles exhibited a photodegradation efficiency of 97.18% for MG, following pseudo-first-order kinetics with a rate constant of 0.04669 min^− 1. The degradation mechanism was elucidated through the scavenging of reactive oxygen species, particularly superoxide (O₂•-) and hydroxyl radicals (•OH), identifying them as the primary reactive species. In addition to photocatalytic activities, the BNO nanoparticles were tested for antibacterial efficacy of 93.97% and 96.69% against two bacterial strains such as Enterococcus faecalis (Gram-positive) and Escherichia coli (Gram-negative) respectively, demonstrating significant antibacterial properties.